CID 16460665

1028126-98-8

Structural Information

Molecular Formula

C₈H₁₀FNO₂S

SMILES

C1=CC(=CC=C1F)S(=O)(=O)CCN

InChI

InChI=1S/C8H10FNO2S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4H,5-6,10H2

InChIKey

IYPLOXRDBXRACI-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)sulfonylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 203.04163 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	204.04891	141.1
[M+Na]+	226.03085	151.2
[M+NH4]+	221.07545	148.3
[M+K]+	242.00479	144.3
[M-H]-	202.03435	141.1
[M+Na-2H]-	224.01630	146.1
[M]+	203.04108	142.8
[M]-	203.04218	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe